[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

C16H22ClN3OS — CID 70739584

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClN3OS/c1-18-12-22-11-15(18)16(21)20-7-5-19(6-8-20)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3/t15-/m0/s1
InChIKeyJVPLHIDGMSBLLX-HNNXBMFYSA-N
MW339.89 g/mol
LogP1.99
Rot. Bonds3

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 70739584) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
PubChem CID70739584
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClN3OS/c1-18-12-22-11-15(18)16(21)20-7-5-19(6-8-20)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3/t15-/m0/s1
InChIKeyJVPLHIDGMSBLLX-HNNXBMFYSA-N
XLogP1.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (CID 70739584) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is CN1CSC[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is JVPLHIDGMSBLLX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c1-18-12-22-11-15(18)16(21)20-7-5-19(6-8-20)10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 339.89 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 70739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).